(2-hydroxy-2-methylpropyl)-dimethyl-propylazanium

C9H22NO+ — CID 161021663

IUPAC(2-hydroxy-2-methylpropyl)-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CC(C)(C)O
InChIInChI=1S/C9H22NO/c1-6-7-10(4,5)8-9(2,3)11/h11H,6-8H2,1-5H3/q+1
InChIKeyCBWYQGVRHHYWMG-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.24
Rot. Bonds4

About (2-hydroxy-2-methylpropyl)-dimethyl-propylazanium

(2-hydroxy-2-methylpropyl)-dimethyl-propylazanium (PubChem CID 161021663) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is (2-hydroxy-2-methylpropyl)-dimethyl-propylazanium.

Molecular Properties

Compound Name(2-hydroxy-2-methylpropyl)-dimethyl-propylazanium
PubChem CID161021663
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Name(2-hydroxy-2-methylpropyl)-dimethyl-propylazanium
SMILESCCC[N+](C)(C)CC(C)(C)O
InChIInChI=1S/C9H22NO/c1-6-7-10(4,5)8-9(2,3)11/h11H,6-8H2,1-5H3/q+1
InChIKeyCBWYQGVRHHYWMG-UHFFFAOYSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-methylpropyl)-dimethyl-propylazanium?
The IUPAC name of (2-hydroxy-2-methylpropyl)-dimethyl-propylazanium (CID 161021663) is (2-hydroxy-2-methylpropyl)-dimethyl-propylazanium.
What is the SMILES notation for (2-hydroxy-2-methylpropyl)-dimethyl-propylazanium?
The canonical SMILES for (2-hydroxy-2-methylpropyl)-dimethyl-propylazanium is CCC[N+](C)(C)CC(C)(C)O.
What is the InChIKey of (2-hydroxy-2-methylpropyl)-dimethyl-propylazanium?
The InChIKey is CBWYQGVRHHYWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-6-7-10(4,5)8-9(2,3)11/h11H,6-8H2,1-5H3/q+1.
What are the key properties of (2-hydroxy-2-methylpropyl)-dimethyl-propylazanium?
(2-hydroxy-2-methylpropyl)-dimethyl-propylazanium has a molecular weight of 160.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methylpropyl)-dimethyl-propylazanium is sourced from PubChem (CID 161021663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).